BAS 00516356
TL;DR: BAS 00516356 (CAS 1164550-27-9) is a chemical compound with molecular formula C23H24N6O3S2 and molecular weight 496.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Also Known As: BAS 00516356, 4-[[(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxopyrazol-4-ylidene]methyl]amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide, 4-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide, 4-{[1-(3,4-Dimethyl-phenyl)-3-methyl-5-oxo-1,5-dihydro-pyrazol-4-ylidenemethyl]-amino}-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzenesulfonamide, 4-({(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
| Molecular Formula | C23H24N6O3S2 |
|---|---|
| Molecular Weight | 496.14 g/mol |
| LogP | 4.05616 |
| Topological Polar Surface Area | 122.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 496.13513 |
| Heavy Atoms | 34 |
| Complexity | 1529.6309 |
Chemical Identifiers
| CAS Number | 1164550-27-9 |
|---|---|
| SMILES | CCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=C(NN(C3=O)C4=CC(=C(C=C4)C)C)C |
Product Overview
BAS 00516356 (CAS 1164550-27-9), with molecular formula C23H24N6O3S2 and molecular weight 496.14 g/mol. IUPAC: 4-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
Chemical Property Profile of BAS 00516356
Property Insights of BAS 00516356
The XLogP value of 4.05616 indicates that BAS 00516356 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.1 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00516356. Following Lipinski's Rule of Five, BAS 00516356 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00516356?
The CAS number of BAS 00516356 is 1164550-27-9.
What is the molecular formula of BAS 00516356?
The molecular formula of BAS 00516356 is C23H24N6O3S2.
What is the molecular weight of BAS 00516356?
The molecular weight of BAS 00516356 is 496.14 g/mol.
Where can I buy BAS 00516356?
You can request a quote for BAS 00516356 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00516356?
Yes, KEHONG BIO provides custom synthesis services for BAS 00516356 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.